5-[[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole

C16H11ClN6OS — CID 29134652

IUPAC5-[[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
SMILESClc1ccccc1-n1nnnc1SCc1nc(-c2ccccc2)no1
InChIInChI=1S/C16H11ClN6OS/c17-12-8-4-5-9-13(12)23-16(19-21-22-23)25-10-14-18-15(20-24-14)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyZBAGOOIRWNTQBG-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.66
Rot. Bonds5

About 5-[[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole

5-[[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 29134652) has the molecular formula C16H11ClN6OS and a molecular weight of 370.83 g/mol. Its IUPAC name is 5-[[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID29134652
Molecular FormulaC16H11ClN6OS
Molecular Weight370.83 g/mol
Exact Mass370.04
IUPAC Name5-[[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
SMILESClc1ccccc1-n1nnnc1SCc1nc(-c2ccccc2)no1
InChIInChI=1S/C16H11ClN6OS/c17-12-8-4-5-9-13(12)23-16(19-21-22-23)25-10-14-18-15(20-24-14)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyZBAGOOIRWNTQBG-UHFFFAOYSA-N
XLogP3.66
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole (CID 29134652) is 5-[[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole is Clc1ccccc1-n1nnnc1SCc1nc(-c2ccccc2)no1.
What is the InChIKey of 5-[[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is ZBAGOOIRWNTQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN6OS/c17-12-8-4-5-9-13(12)23-16(19-21-22-23)25-10-14-18-15(20-24-14)11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 5-[[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole?
5-[[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 370.83 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 29134652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).